Geometry & MOs

Info

ID:

218869

PubChem CID:

85090088

Reduced:

PN3O7C25H34 (1)

Stoich.:

AB3C7D25E34 (1)

Weight, g/mol:

519.083369

ΔHf, kcal/mol:

-349.37

Dipole, Da:

5.96

IP(EA), eV:

 -9.42(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-(2-methylpropylamino)-6-oxo-5H-purin-9-yl]-2-[(2-sulfanylidene-1,3,2lambda5-dithiaphospholan-2-yl)oxymethyl]oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)N)OP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations